methyl (3S,4S,5S)-5-oxidanyl-3,5-diphenyl-4-(phenylmethylsulfanyl)pentanoate

Systemtic Name: methyl (3S,4S,5S)-5-oxidanyl-3,5-diphenyl-4-(phenylmethylsulfanyl)pentanoate Openeye Name: methyl (3S,4S,5S)-4-benzylsulfanyl-5-hydroxy-3,5-diphenyl-pentanoate CAS Name: (3S,4S,5S)-5-hydroxy-3,5-diphenyl-4-(phenylmethylthio)pentanoic acid methyl ester IUPAC Name: methyl (3S,4S,5S)-4-benzylsulfanyl-5-hydroxy-3,5-diphenylpentanoate Traditional Name: (3S,4S,5S)-4-(benzylthio)-5-hydroxy-3,5-diphenyl-valeric acid methyl ester Formula: C25H26O3S MolecularWeight: 406.53714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)O)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=CC=C1)[C@@H]([C@H](C2=CC=CC=C2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C25H26O3S/c1-28-23(26)17-22(20-13-7-3-8-14-20)25(24(27)21-15-9-4-10-16-21)29-18-19-11-5-2-6-12-19/h2-16,22,24-25,27H,17-18H2,1H3/t22-,24-,25-/m0/s1